3-[(E)-1-cyclohexylethylideneamino]oxypropanoic acid

C11H19NO3 — CID 14641202

IUPAC3-[(E)-1-cyclohexylethylideneamino]oxypropanoic acid
SMILESC/C(=N\OCCC(=O)O)C1CCCCC1
InChIInChI=1S/C11H19NO3/c1-9(10-5-3-2-4-6-10)12-15-8-7-11(13)14/h10H,2-8H2,1H3,(H,13,14)/b12-9+
InChIKeyJFNZIQQLFNXDAS-FMIVXFBMSA-N
MW213.28 g/mol
LogP2.43
Rot. Bonds5

About 3-[(E)-1-cyclohexylethylideneamino]oxypropanoic acid

3-[(E)-1-cyclohexylethylideneamino]oxypropanoic acid (PubChem CID 14641202) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 3-[(E)-1-cyclohexylethylideneamino]oxypropanoic acid.

Molecular Properties

Compound Name3-[(E)-1-cyclohexylethylideneamino]oxypropanoic acid
PubChem CID14641202
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name3-[(E)-1-cyclohexylethylideneamino]oxypropanoic acid
SMILESC/C(=N\OCCC(=O)O)C1CCCCC1
InChIInChI=1S/C11H19NO3/c1-9(10-5-3-2-4-6-10)12-15-8-7-11(13)14/h10H,2-8H2,1H3,(H,13,14)/b12-9+
InChIKeyJFNZIQQLFNXDAS-FMIVXFBMSA-N
XLogP2.43
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-1-cyclohexylethylideneamino]oxypropanoic acid?
The IUPAC name of 3-[(E)-1-cyclohexylethylideneamino]oxypropanoic acid (CID 14641202) is 3-[(E)-1-cyclohexylethylideneamino]oxypropanoic acid.
What is the SMILES notation for 3-[(E)-1-cyclohexylethylideneamino]oxypropanoic acid?
The canonical SMILES for 3-[(E)-1-cyclohexylethylideneamino]oxypropanoic acid is C/C(=N\OCCC(=O)O)C1CCCCC1.
What is the InChIKey of 3-[(E)-1-cyclohexylethylideneamino]oxypropanoic acid?
The InChIKey is JFNZIQQLFNXDAS-FMIVXFBMSA-N. The full InChI is InChI=1S/C11H19NO3/c1-9(10-5-3-2-4-6-10)12-15-8-7-11(13)14/h10H,2-8H2,1H3,(H,13,14)/b12-9+.
What are the key properties of 3-[(E)-1-cyclohexylethylideneamino]oxypropanoic acid?
3-[(E)-1-cyclohexylethylideneamino]oxypropanoic acid has a molecular weight of 213.28 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-1-cyclohexylethylideneamino]oxypropanoic acid is sourced from PubChem (CID 14641202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).